1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene

C18H20 — CID 145064403

IUPAC1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene
SMILESC=Cc1ccccc1-c1ccc(C(C)C)cc1C
InChIInChI=1S/C18H20/c1-5-15-8-6-7-9-18(15)17-11-10-16(13(2)3)12-14(17)4/h5-13H,1H2,2-4H3
InChIKeyKLNODRAGWJCLSH-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.43
Rot. Bonds3

About 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene

1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene (PubChem CID 145064403) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene
PubChem CID145064403
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene
SMILESC=Cc1ccccc1-c1ccc(C(C)C)cc1C
InChIInChI=1S/C18H20/c1-5-15-8-6-7-9-18(15)17-11-10-16(13(2)3)12-14(17)4/h5-13H,1H2,2-4H3
InChIKeyKLNODRAGWJCLSH-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene (CID 145064403) is 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene is C=Cc1ccccc1-c1ccc(C(C)C)cc1C.
What is the InChIKey of 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene?
The InChIKey is KLNODRAGWJCLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-5-15-8-6-7-9-18(15)17-11-10-16(13(2)3)12-14(17)4/h5-13H,1H2,2-4H3.
What are the key properties of 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene?
1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 145064403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).